DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:59 UTC
Update Date	2025-03-21 18:33:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00095587
Frequency	29.0
Structure
Chemical Formula	C₁₆H₂₂N₂O₅
Molecular Mass	322.1529
SMILES	NC(CCCCC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	BXQPHDLTOBDOQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group amino fatty acid n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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